4-(iodomethyl)piperazin-1-amine

C5H12IN3 — CID 163490269

IUPAC4-(iodomethyl)piperazin-1-amine
SMILESNN1CCN(CI)CC1
InChIInChI=1S/C5H12IN3/c6-5-8-1-3-9(7)4-2-8/h1-5,7H2
InChIKeyCLZSVGXDNIGGML-UHFFFAOYSA-N
MW241.08 g/mol
LogP-0.13
Rot. Bonds1

About 4-(iodomethyl)piperazin-1-amine

4-(iodomethyl)piperazin-1-amine (PubChem CID 163490269) has the molecular formula C5H12IN3 and a molecular weight of 241.08 g/mol. Its IUPAC name is 4-(iodomethyl)piperazin-1-amine.

Molecular Properties

Compound Name4-(iodomethyl)piperazin-1-amine
PubChem CID163490269
Molecular FormulaC5H12IN3
Molecular Weight241.08 g/mol
Exact Mass241.01
IUPAC Name4-(iodomethyl)piperazin-1-amine
SMILESNN1CCN(CI)CC1
InChIInChI=1S/C5H12IN3/c6-5-8-1-3-9(7)4-2-8/h1-5,7H2
InChIKeyCLZSVGXDNIGGML-UHFFFAOYSA-N
XLogP-0.13
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)piperazin-1-amine?
The IUPAC name of 4-(iodomethyl)piperazin-1-amine (CID 163490269) is 4-(iodomethyl)piperazin-1-amine.
What is the SMILES notation for 4-(iodomethyl)piperazin-1-amine?
The canonical SMILES for 4-(iodomethyl)piperazin-1-amine is NN1CCN(CI)CC1.
What is the InChIKey of 4-(iodomethyl)piperazin-1-amine?
The InChIKey is CLZSVGXDNIGGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12IN3/c6-5-8-1-3-9(7)4-2-8/h1-5,7H2.
What are the key properties of 4-(iodomethyl)piperazin-1-amine?
4-(iodomethyl)piperazin-1-amine has a molecular weight of 241.08 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)piperazin-1-amine is sourced from PubChem (CID 163490269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).